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	Mon. 30	Tue. 31	Wed. 01	Thu. 02	Fri. 03
09:00 10:00 11:00 12:00 13:00 14:00 15:00 16:00 17:00 18:00 19:00 20:00	Registration 14:00 - 17:30 (3h30) Registration Introduction 17:30 - 17:40 (10min) Introduction Boris Le Guennic Simple Models & Accurate Simulations 17:40 - 18:00 (20min) Simple Models & Accurate Simulations Ria Broer Some thoughts on the future of quantum chemical software development and recent progress in multi-reference methods 18:00 - 19:00 (1h) Some thoughts on the future of quantum chemical software development and recent progress in multi-reference methods Frank Neese Dinner 19:00 - 20:30 (1h30) Dinner	Disentangling ultrafast electronic and structural dynamics in photomagnetic materials 9:00 - 10:00 (1h) Disentangling ultrafast electronic and structural dynamics in photomagnetic materials Eric Collet Organolanthanide complexes: ab initio electronic structure investigation and magnetic properties rationalization 10:00 - 10:20 (20min) Organolanthanide complexes: ab initio electronic structure investigation and magnetic properties rationalization Léo La Droitte Coffee break 10:20 - 10:50 (30min) Coffee break Magnetic properties of actinide complexes 10:50 - 11:30 (40min) Magnetic properties of actinide complexes Hélène Bolvin Towards a general and consistent evaluation of magnetic exchange couplings in KS-DFT 11:30 - 12:10 (40min) Towards a general and consistent evaluation of magnetic exchange couplings in KS-DFT Grégoire David Lunch 12:10 - 14:20 (2h10) Lunch Physics of the Dzyaloshinskii-Moriya interaction 14:20 - 15:00 (40min) Physics of the Dzyaloshinskii-Moriya interaction Nathalie Guihéry Impact of the electric field on magnetic parameters: disruptive Dzyaloshinskii-Moriya interaction 15:00 - 15:20 (20min) Impact of the electric field on magnetic parameters: disruptive Dzyaloshinskii-Moriya interaction Barthélémy Pradines A photo-induced spin crossover based molecular switch and spin filter operating at room temperature 15:20 - 15:40 (20min) A photo-induced spin crossover based molecular switch and spin filter operating at room temperature Nicolas Montenegro Many-Electron Tight Binding model applied to singlet fission 15:40 - 16:00 (20min) Many-Electron Tight Binding model applied to singlet fission Aitor Sanchez Coffee break 16:00 - 16:30 (30min) Coffee break An experimental approach of the relaxation of the magnetic moments in lanthanide-based single-molecule magnets 16:30 - 17:30 (1h) An experimental approach of the relaxation of the magnetic moments in lanthanide-based single-molecule magnets Olivier Cador Including vibrational effects in MCD calculations 17:30 - 17:50 (20min) Including vibrational effects in MCD calculations Nicolas Foglia Ab-Initio and ligand field analysis of structural variations of an air-stable single-ion magnet displaying magnetic blocking up to 4.0 K 17:50 - 18:10 (20min) Ab-Initio and ligand field analysis of structural variations of an air-stable single-ion magnet displaying magnetic blocking up to 4.0 K Shashank Rao Dinner 19:30 - 20:30 (1h) Dinner	High-Pressure tuning of magnetism and ferroelectricity in multiferroic mixed-anion cuprates 9:00 - 10:00 (1h) High-Pressure tuning of magnetism and ferroelectricity in multiferroic mixed-anion cuprates Xavier Rocquefelte Solid-state effects on the singlet-triplet energy gaps of switchable biradicals 10:00 - 10:20 (20min) Solid-state effects on the singlet-triplet energy gaps of switchable biradicals Jordi Ribas Coffee break 10:20 - 10:50 (30min) Coffee break Magnetic Exchange and Valence Delocalization in a Mixed Valence [FeIIFeIIITe2]+ Complex: Insights From Theory and Interpretations of Magnetic and Spectroscopic Data 10:50 - 11:30 (40min) Magnetic Exchange and Valence Delocalization in a Mixed Valence [FeIIFeIIITe2]+ Complex: Insights From Theory and Interpretations of Magnetic and Spectroscopic Data Mihail Atanasov The difficult exploration of a chemical utopia 11:30 - 12:10 (40min) The difficult exploration of a chemical utopia Jean-Paul Malrieu Lunch 12:10 - 15:00 (2h50) Lunch Excursion 15:00 - 19:00 (4h) Excursion Dinner 19:30 - 20:30 (1h) Dinner	Multireference Perturbation Theory: the n–electron valence state approach 9:00 - 10:00 (1h) Multireference Perturbation Theory: the n–electron valence state approach Celestino Angeli Can one learn something from a Fully Contracted approach? 10:00 - 10:20 (20min) Can one learn something from a Fully Contracted approach? Jean-Paul Malrieu Coffee break 10:20 - 10:50 (30min) Coffee break Evidence for low-lying correlated gapped states in strained graphene and graphenic 2D-COFs 10:50 - 11:30 (40min) Evidence for low-lying correlated gapped states in strained graphene and graphenic 2D-COFs Ibério de P. R. Moreira Antiferromagnetic Exchange and Metal–Metal Bonding in Roussin's Black Sulfur and Selenium Salts 11:30 - 12:10 (40min) Antiferromagnetic Exchange and Metal–Metal Bonding in Roussin's Black Sulfur and Selenium Salts Daniel Santa Lucia Lunch 12:10 - 14:20 (2h10) Lunch In silico chiroptical properties of organo-lanthanide complexes 14:20 - 15:00 (40min) In silico chiroptical properties of organo-lanthanide complexes Maxime Grasser Magnetic behavior of encapsulated Single Molecules Magnets 15:00 - 15:20 (20min) Magnetic behavior of encapsulated Single Molecules Magnets Nelson David Arias Olivares Molecular Orbital Descriptor Approach (MODA): A Machine Learning descriptor based on first principles to predict magnetic couplings in organic magnets 15:20 - 15:40 (20min) Molecular Orbital Descriptor Approach (MODA): A Machine Learning descriptor based on first principles to predict magnetic couplings in organic magnets Raul Santiago Using electronic structure methods to model Spin-Crossover processes in Inorganic Systems: From molecules to crystals 15:40 - 16:00 (20min) Using electronic structure methods to model Spin-Crossover processes in Inorganic Systems: From molecules to crystals Jordi Cirera Coffee break 16:00 - 16:30 (30min) Coffee break Magnetic interactions with non-orthogonal configuration interaction 16:30 - 17:10 (40min) Magnetic interactions with non-orthogonal configuration interaction Coen de Graaf Roundtable 17:10 - 18:10 (1h) Roundtable Dinner 19:30 - 20:30 (1h) Dinner	Are the formal requirements of the many-body problem made obsolete by the fantastic progresses of our computational resources? 9:00 - 9:20 (20min) Are the formal requirements of the many-body problem made obsolete by the fantastic progresses of our computational resources? Jean-Paul Malrieu A pedagogical discussion of the size-consistency issue for selected configuration interaction methods 9:20 - 10:00 (40min) A pedagogical discussion of the size-consistency issue for selected configuration interaction methods Vijay Gopal Building model Hamiltonians for solids 10:00 - 10:20 (20min) Building model Hamiltonians for solids Léo Gaspard On the CAS explosion in polynuclear transition metal complexes 10:20 - 11:00 (40min) On the CAS explosion in polynuclear transition metal complexes Rémi Maurice Concluding remarks 11:00 - 11:10 (10min) Concluding remarks Boris Le Guennic Lunch box 12:00 - 12:30 (30min) Lunch box Participants departure 13:00 - 16:00 (3h) Participants departure

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